Cas no 181706-69-4 (6-phenyl-3-Pyridazinecarboxylic acid methyl ester)

6-phenyl-3-Pyridazinecarboxylic acid methyl ester structure
181706-69-4 structure
Product Name:6-phenyl-3-Pyridazinecarboxylic acid methyl ester
CAS No:181706-69-4
MF:C12H10N2O2
MW:214.220002651215
CID:1108022
PubChem ID:11769839
Update Time:2025-04-20

6-phenyl-3-Pyridazinecarboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 6-phenyl-3-Pyridazinecarboxylic acid methyl ester
    • methyl6-phenylpyridazine-3-carboxylate
    • 3-Pyridazinecarboxylic acid, 6-phenyl-, methyl ester
    • 181706-69-4
    • Inchi: 1S/C12H10N2O2/c1-16-12(15)11-8-7-10(13-14-11)9-5-3-2-4-6-9/h2-8H,1H3
    • InChI Key: TXQDJFQJOHCSRH-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=C(C2C=CC=CC=2)N=N1)=O

Computed Properties

  • Exact Mass: 214.0743
  • Monoisotopic Mass: 214.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • PSA: 52.08

6-phenyl-3-Pyridazinecarboxylic acid methyl ester Pricemore >>

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